Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 2 results

Search term: GQBJDHKATVDMCU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24844565

Double-bond stereo

8 of 15 defined stereocentres - 8/15 defined
InChI=1/C42H46O23/c1-15-28(50)31(53)33(55)40(58-15)59-19-11-22(48)27-23(12-19)60-36(17-4-6-18(45)7-5-17)38(30(27)52)64-42-35(57)39(65-41-34(56)32(54)29(51)24(13-43)61-41)37(25(14-44)62-42)63-26(49)9-3-16-2-8-20(46)21(47)10-16/h2-12,15,24-25,28-29,31-35,37,39-48,50-51,53-57H,13-14H2,1H3/b9-3+/t15?,24?,25?,28-,29+,31-,32?,33?,34+,35?,37+,39?,40-,41-,42-/m0/s1
C42H46O23918.80081100
115269914

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C42H46O23/c1-15-28(50)31(53)33(55)40(58-15)59-19-11-22(48)27-23(12-19)60-36(17-4-6-18(45)7-5-17)38(30(27)52)64-42-35(57)39(65-41-34(56)32(54)29(51)24(13-43)61-41)37(25(14-44)62-42)63-26(49)9-3-16-2-8-20(46)21(47)10-16/h2-12,15,24-25,28-29,31-35,37,39-48,50-51,53-57H,13-14H2,1H3/b9-3+/t15-,24+,25+,28-,29+,31+,32-,33+,34+,35+,37+,39+,40-,41-,42-/m0/s1
C42H46O23918.80081100

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